2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide

C16H24N2OS — CID 115998998

IUPAC2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide
SMILESCC1(C)Cc2c(sc(N)c2C(=O)NC2CC2)C(C)(C)C1
InChIInChI=1S/C16H24N2OS/c1-15(2)7-10-11(14(19)18-9-5-6-9)13(17)20-12(10)16(3,4)8-15/h9H,5-8,17H2,1-4H3,(H,18,19)
InChIKeySTDRQPZOFMLRNB-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.47
Rot. Bonds2

About 2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide

2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 115998998) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide
PubChem CID115998998
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide
SMILESCC1(C)Cc2c(sc(N)c2C(=O)NC2CC2)C(C)(C)C1
InChIInChI=1S/C16H24N2OS/c1-15(2)7-10-11(14(19)18-9-5-6-9)13(17)20-12(10)16(3,4)8-15/h9H,5-8,17H2,1-4H3,(H,18,19)
InChIKeySTDRQPZOFMLRNB-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide (CID 115998998) is 2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide is CC1(C)Cc2c(sc(N)c2C(=O)NC2CC2)C(C)(C)C1.
What is the InChIKey of 2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is STDRQPZOFMLRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-15(2)7-10-11(14(19)18-9-5-6-9)13(17)20-12(10)16(3,4)8-15/h9H,5-8,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide?
2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-5,5,7,7-tetramethyl-4,6-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 115998998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).